[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH2+]C(C2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH2+][C@H](C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H26N2O3/c1-14(2)20(16-8-6-5-7-9-16)22-13-19(24)23-18-12-17(21(25)26-4)11-10-15(18)3/h5-12,14,20,22H,13H2,1-4H3,(H,23,24)/p+1/t20-/m0/s1